3-oxidanyl-2-[(phenylmethyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[(phenylmethyl)carbamothioylamino]propanoic acid Openeye Name: 2-(benzylcarbamothioylamino)-3-hydroxy-propanoic acid CAS Name: 3-hydroxy-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-(benzylcarbamothioylamino)-3-hydroxypropanoic acid Traditional Name: 2-(benzylthiocarbamoylamino)-3-hydroxy-propionic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC(CO)C(=O)O

InChI

InChI=1S/C11H14N2O3S/c14-7-9(10(15)16)13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)